8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one

C25H19FN6O3 — CID 134325550

IUPAC8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5ccc6nc[nH]c6c5)cc4c32)c(F)c1
InChIInChI=1S/C25H19FN6O3/c1-31-21-11-27-19-9-22(35-3)15(13-4-5-18-20(6-13)30-12-29-18)8-16(19)23(21)32(25(31)33)24-17(26)7-14(34-2)10-28-24/h4-12H,1-3H3,(H,29,30)
InChIKeyGUFRDMWBPQYKAU-UHFFFAOYSA-N
MW470.46 g/mol
LogP3.97
Rot. Bonds4

About 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one

8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 134325550) has the molecular formula C25H19FN6O3 and a molecular weight of 470.46 g/mol. Its IUPAC name is 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID134325550
Molecular FormulaC25H19FN6O3
Molecular Weight470.46 g/mol
Exact Mass470.15
IUPAC Name8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5ccc6nc[nH]c6c5)cc4c32)c(F)c1
InChIInChI=1S/C25H19FN6O3/c1-31-21-11-27-19-9-22(35-3)15(13-4-5-18-20(6-13)30-12-29-18)8-16(19)23(21)32(25(31)33)24-17(26)7-14(34-2)10-28-24/h4-12H,1-3H3,(H,29,30)
InChIKeyGUFRDMWBPQYKAU-UHFFFAOYSA-N
XLogP3.97
TPSA99.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-Aminobenzimidazole, 12
CID 17755723
Branosotine
CID 146450467
8-[(5-methoxy-2-methylphenyl)amino]-2-{[2-(morpholin-4-yl)ethyl]amino}-3H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 5330118
3-ethyl-1-[6-methoxy-5-(2-methoxypyrimidin-5-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11624303
3-ethyl-1-[6-methoxy-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365988
1-[7-(benzyloxy)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]-3-ethylurea
CID 21366049
5-{2-[4-(3H-Benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy}-2-methylquinoline
CID 10150796
4-(3,4-dihydroisoquinolin-2(1H)-yl)-9-methoxy-5H-pyrimido[5,4-b]indole
CID 942804
2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole
CID 46881928
N-[4-fluoro-3-[6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76328740
1-[(2S,4S)-4-(dimethylamino)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 135151641
[1-[3-(3-fluoro-5-methylphenyl)-5-(4-methoxy-1H-benzimidazol-2-yl)-4-pyridinyl]azetidin-3-yl]methanamine
CID 139392737

Frequently Asked Questions

What is the IUPAC name of 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (CID 134325550) is 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is COc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5ccc6nc[nH]c6c5)cc4c32)c(F)c1.
What is the InChIKey of 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is GUFRDMWBPQYKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O3/c1-31-21-11-27-19-9-22(35-3)15(13-4-5-18-20(6-13)30-12-29-18)8-16(19)23(21)32(25(31)33)24-17(26)7-14(34-2)10-28-24/h4-12H,1-3H3,(H,29,30).
What are the key properties of 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 470.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).